chromium;2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(phenylmethoxy)pyridine

C17H13CrF3N3O- — CID 155745979

IUPACchromium;2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(phenylmethoxy)pyridine
SMILESCn1cc(-c2ccc(OCc3cc[c-]cc3)cn2)c(C(F)(F)F)n1.[Cr]
InChIInChI=1S/C17H13F3N3O.Cr/c1-23-10-14(16(22-23)17(18,19)20)15-8-7-13(9-21-15)24-11-12-5-3-2-4-6-12;/h3-10H,11H2,1H3;/q-1;
InChIKeyKMRDORGUIWJJOJ-UHFFFAOYSA-N
MW384.30 g/mol
LogP3.88
Rot. Bonds4

About chromium;2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(phenylmethoxy)pyridine

chromium;2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(phenylmethoxy)pyridine (PubChem CID 155745979) has the molecular formula C17H13CrF3N3O- and a molecular weight of 384.30 g/mol. Its IUPAC name is chromium;2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(phenylmethoxy)pyridine.

Molecular Properties

Compound Namechromium;2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(phenylmethoxy)pyridine
PubChem CID155745979
Molecular FormulaC17H13CrF3N3O-
Molecular Weight384.30 g/mol
Exact Mass384.04
IUPAC Namechromium;2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(phenylmethoxy)pyridine
SMILESCn1cc(-c2ccc(OCc3cc[c-]cc3)cn2)c(C(F)(F)F)n1.[Cr]
InChIInChI=1S/C17H13F3N3O.Cr/c1-23-10-14(16(22-23)17(18,19)20)15-8-7-13(9-21-15)24-11-12-5-3-2-4-6-12;/h3-10H,11H2,1H3;/q-1;
InChIKeyKMRDORGUIWJJOJ-UHFFFAOYSA-N
XLogP3.88
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chromium;2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(phenylmethoxy)pyridine?
The IUPAC name of chromium;2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(phenylmethoxy)pyridine (CID 155745979) is chromium;2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(phenylmethoxy)pyridine.
What is the SMILES notation for chromium;2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(phenylmethoxy)pyridine?
The canonical SMILES for chromium;2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(phenylmethoxy)pyridine is Cn1cc(-c2ccc(OCc3cc[c-]cc3)cn2)c(C(F)(F)F)n1.[Cr].
What is the InChIKey of chromium;2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(phenylmethoxy)pyridine?
The InChIKey is KMRDORGUIWJJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N3O.Cr/c1-23-10-14(16(22-23)17(18,19)20)15-8-7-13(9-21-15)24-11-12-5-3-2-4-6-12;/h3-10H,11H2,1H3;/q-1;.
What are the key properties of chromium;2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(phenylmethoxy)pyridine?
chromium;2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(phenylmethoxy)pyridine has a molecular weight of 384.30 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(phenylmethoxy)pyridine is sourced from PubChem (CID 155745979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).